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630b5b01fd
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Fix doc.rs
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2025-01-10 16:09:47 +01:00 |
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516b70e266
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Finalized Rust package for version 2.5.1
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2025-01-10 15:22:46 +01:00 |
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788429d063
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Unlocked tests
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2025-01-10 14:59:27 +01:00 |
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b5fe333ea9
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Merge branch 'master' into rust
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2025-01-10 14:45:07 +01:00 |
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192e415a8f
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Merge branch 'debug_flags'
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2025-01-09 15:51:58 +01:00 |
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2b7498016a
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Fixing CI fo GH pages (emacs)
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2025-01-09 15:51:03 +01:00 |
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173fc3b6f1
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Merge pull request #169 from TREX-CoE/debug_flags
Debug flags
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2025-01-09 11:14:03 +01:00 |
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ff6e556030
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Update TREXIO exit codes decoding function
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2025-01-08 15:19:43 +01:00 |
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a889bb846e
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TREXIO exit codes decoding function
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2025-01-08 15:14:24 +01:00 |
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fd1e23ad3d
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+2 -> +1
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2025-01-08 15:01:56 +01:00 |
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Evgeny Posenitskiy
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3321cb3ce6
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Merge pull request #174 from sheepforce/haskell-readme
add Haskell bindings section to README
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2025-01-06 15:53:10 +01:00 |
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Phillip Seeber
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43eb5f1944
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add Haskell bindings section to README
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2025-01-06 15:34:14 +01:00 |
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q-posev
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fb4e23481d
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Implement a check to prevent data corruption for sparse I/O
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2025-01-03 20:57:51 +01:00 |
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q-posev
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b62ddcba12
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Remove useless n_chunks
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2025-01-03 20:32:59 +01:00 |
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q-posev
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155d69571a
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Remove TODO - the error handling is manual
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2025-01-03 10:00:59 +01:00 |
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q-posev
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22be7fa615
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Silence prints in tests
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2025-01-03 09:53:46 +01:00 |
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q-posev
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a7cf0553cc
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Install valgrind for the CI
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2025-01-02 23:33:05 +01:00 |
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q-posev
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68d6780d76
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Fix CI
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2025-01-02 23:24:34 +01:00 |
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q-posev
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0533cc67c0
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Fix CI
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2025-01-02 23:17:34 +01:00 |
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q-posev
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a9cdc2773d
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Fix CI
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2025-01-02 23:14:21 +01:00 |
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q-posev
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1513eecaab
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Refactored CI: first do valgrind and then debug configure
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2025-01-02 23:07:46 +01:00 |
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q-posev
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d804b14678
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No need for -g in FCFLAGS
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2025-01-02 23:03:58 +01:00 |
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q-posev
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0fd9779a1e
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Add hardcore valgring checking
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2025-01-02 23:03:22 +01:00 |
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Evgeny Posenitskiy
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886561a847
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Merge branch 'master' into debug_flags
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2025-01-02 22:19:20 +01:00 |
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Evgeny Posenitskiy
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ccb9bf8587
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Merge pull request #168 from TREX-CoE/det-checks
Fix text backend for determinants + check consistency of determinants
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2025-01-02 22:14:37 +01:00 |
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q-posev
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4f1d44b920
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Clear debug prints
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2025-01-02 22:10:21 +01:00 |
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Evgeny Posenitskiy
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4d78926015
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Rollback parallel tests
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2025-01-02 22:06:43 +01:00 |
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q-posev
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91585a6811
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Fix Python tests: align with the C ones
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2025-01-02 21:29:36 +01:00 |
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12cc177b6d
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Merge branch 'master' into rust
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2024-12-30 03:21:33 +01:00 |
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deb0e65fa5
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Merge branch 'master' into debug_flags
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2024-12-30 03:21:20 +01:00 |
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156f09ff8a
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Merge branch 'master' of github.com:TREX-CoE/trexio
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2024-12-30 03:21:09 +01:00 |
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8cbc71ecb2
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Fixed previous commit
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2024-12-30 03:20:56 +01:00 |
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0ba81ac715
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Merge pull request #172 from TREX-CoE/madelung
Add Madelung correction
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2024-12-30 03:02:49 +01:00 |
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3755baf13e
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Deactivate test to enable old trexio
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2024-12-30 03:01:44 +01:00 |
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8bb2c1e179
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Improved text backend
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2024-12-30 02:54:24 +01:00 |
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c502a6166d
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Merge branch 'master' into debug_flags
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2024-12-30 02:40:37 +01:00 |
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8156a738fb
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Merge branch 'master' into rust
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2024-12-30 00:12:17 +01:00 |
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35795a9c35
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Update determinant test such that last chunk is smaller (100 dets in 7 chunks)
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2024-12-30 00:09:19 +01:00 |
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b529ee5d2b
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Merge branch 'master' into rust
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2024-12-30 00:00:17 +01:00 |
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1151587bbe
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Update determinant test such that last chunk is smaller (100 dets in 7 chunks)
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2024-12-30 00:00:05 +01:00 |
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b303609e39
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Fixing tests
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2024-12-29 23:40:32 +01:00 |
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2cea87a123
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Adapting determinants
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2024-12-29 23:28:33 +01:00 |
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52eae38230
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Removing need to compile C library
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2024-12-29 22:27:31 +01:00 |
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d2c5dc7fa1
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Merge branch 'master' into debug_flags
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2024-12-12 09:51:05 +01:00 |
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5a657b4035
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Merge branch 'master' into madelung
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2024-12-12 09:50:34 +01:00 |
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Phillip Seeber
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df0e3a8e1c
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add nix build instructions and README section (#173)
# Conflicts:
# README.md
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2024-12-11 16:15:12 +01:00 |
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9e8b2e92f3
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Add Madelung
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2024-12-07 11:41:33 +01:00 |
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751b3c9d79
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Fixed valgrind issue with trim
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2024-12-06 11:20:26 +01:00 |
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c7d5d4255b
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Fixed valgrind test_f.f90
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2024-12-06 11:09:55 +01:00 |
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cd369bd187
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Fix previous commit
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2024-12-05 18:24:43 +01:00 |
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